N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C10H17F3N2S — CID 115674403

IUPACN-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFC(F)(F)CN1CCC(NC2CCSC2)C1
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)7-15-3-1-8(5-15)14-9-2-4-16-6-9/h8-9,14H,1-7H2
InChIKeyOEDIZNMDWMTOJA-UHFFFAOYSA-N
MW254.32 g/mol
LogP1.72
Rot. Bonds3

About N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 115674403) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID115674403
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC NameN-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFC(F)(F)CN1CCC(NC2CCSC2)C1
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)7-15-3-1-8(5-15)14-9-2-4-16-6-9/h8-9,14H,1-7H2
InChIKeyOEDIZNMDWMTOJA-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 115674403) is N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is FC(F)(F)CN1CCC(NC2CCSC2)C1.
What is the InChIKey of N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is OEDIZNMDWMTOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c11-10(12,13)7-15-3-1-8(5-15)14-9-2-4-16-6-9/h8-9,14H,1-7H2.
What are the key properties of N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115674403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).